public void SetMoleculeSelected(int?moleculeID)
{
molecules.SelectedMoleculeID = moleculeID;
foreach (KeyValuePair <int, MoleculeSettingsPanelListItem> item in moleculeListItems)
{
item.Value.SetHighlighted(false);
UserInterfaceEvents.RaiseMoleculeSelected(item.Key, false);
}
if (moleculeID != null)
{
foreach (KeyValuePair <int, MoleculeSettingsPanelListItem> item in moleculeListItems)
{
if (item.Key == molecules.SelectedMoleculeID)
{
item.Value.SetHighlighted(true);
// if molecule is hidden then dont raise event. When molecule is unhidden then an event will be raised instead
MoleculeSettings molecule = molecules.Get((int)moleculeID);
if (molecule != null && !molecule.Hidden)
{
UserInterfaceEvents.RaiseMoleculeSelected(item.Key, true);
}
}
}
}
updateSelectedMoleculeInterfaceSettings();
}
public void MoleculeLoaded(int id, string name, string description, int atomCount, int residueCount)
{
if (molecules.Contains(id))
{
console.ShowMessage("Loaded file: " + name);
MoleculeSettings settings = molecules.Get(id);
settings.Name = name;
settings.Description = description;
settings.AtomCount = atomCount;
settings.ResidueCount = residueCount;
settings.Loaded = true;
GameObject listItem = GameObject.Instantiate(moleculeListItemPrefab);
listItem.transform.position = Vector3.zero;
listItem.transform.rotation = Quaternion.identity;
listItem.transform.localScale = Vector3.one;
listItem.SetActive(true);
listItem.transform.SetParent(moleculeListContent.transform, false);
MoleculeSettingsPanelListItem item = listItem.GetComponent <MoleculeSettingsPanelListItem>();
item.Initialise(id, settings.FileName, onMoleculeListItemClick, onMoleculeListItemDoubleClick);
moleculeListItems.Add(id, item);
numberMoleculeListItems();
SetMoleculeSelected(id);
onMoleculeListItemDoubleClick(id);
updateSelectedMoleculeInterfaceSettings();
}
}
public void UpdateFrameNumberInfo()
{
MoleculeSettings selectedMolecule = molecules.GetSelected();
if (selectedMolecule.HasTrajectory)
{
int?frameNumber = selectedMolecule.CurrentTrajectoryFrameNumber;
if (frameNumber == null)
{
this.frameNumber.text = "-";
}
else
{
this.frameNumber.text = (frameNumber + 1).ToString(); // trajectory indexes start at zero but display starts at 1
}
totalFrames.text = selectedMolecule.TrajectoryFrameCount.ToString();
}
else
{
frameNumber.text = "-";
totalFrames.text = "-";
}
}
// Settings file management methods below. These don't fit into the UserInterface or Molecule groups
// so have left separately here. Could be moved into it's own class but the code but the code is minor
// at the moment so have left here.
private void saveSettingsFile(MoleculeSettings moleculeSettings, string saveFilePath)
{
SettingsFile settingsFile = new SettingsFile();
settingsFile.StructureFilePath = moleculeSettings.FilePath;
settingsFile.TrajectoryFilePath = moleculeSettings.TrajectoryFilePath;
settingsFile.RenderSettings = moleculeSettings.RenderSettings;
settingsFile.MoleculeTransform = molecules.GetMoleculeTransform(moleculeSettings.ID);
settingsFile.CameraTransform = new SerializableTransform(sceneCamera.transform);
try {
fsSerializer serializer = new fsSerializer();
fsData data;
serializer.TrySerialize <SettingsFile>(settingsFile, out data).AssertSuccessWithoutWarnings();
string json = fsJsonPrinter.CompressedJson(data);
if (!saveFilePath.EndsWith(Settings.SettingsFileExtension))
{
saveFilePath += Settings.SettingsFileExtension;
}
File.WriteAllText(saveFilePath, json);
userInterface.ShowConsoleMessage("Saved molecule settings to: " + saveFilePath);
}
catch (Exception e) {
userInterface.ShowConsoleError("Error saving molecule settings: " + e.Message);
return;
}
}
public MoleculeSettings Add(string filePath)
{
lastMoleculeID++;
MoleculeSettings molecule = new MoleculeSettings(lastMoleculeID, filePath);
molecules[lastMoleculeID] = molecule;
return(molecule);
}
public void OnResetPositionButton()
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null)
{
return;
}
UserInterfaceEvents.RaiseResetMoleculeTransform(molecule.ID);
}
private void onSaveSettingsFileSubmitted(string fullPath)
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null)
{
return;
}
UserInterfaceEvents.RaiseSaveMoleculeSettings(molecule, fullPath);
}
public void OnStopButton()
{
if (validMoleculeSelected())
{
animating = false;
MoleculeSettings molecule = molecules.GetSelected();
molecule.CurrentTrajectoryFrameNumber = null;
UserInterfaceEvents.RaiseMoleculeRenderSettingsUpdated(molecule.ID, molecule.RenderSettings, molecule.CurrentTrajectoryFrameNumber);
UpdateFrameNumberInfo();
}
}
private bool validMoleculeSelected()
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null || molecule.Hidden || !molecule.HasTrajectory)
{
return(false);
}
return(true);
}
private void loadRenderSettings(int moleculeID, MoleculeRenderSettings settings)
{
MoleculeSettings molecule = molecules.Get(moleculeID);
if (molecule == null)
{
return;
}
molecule.RenderSettings = (MoleculeRenderSettings)settings;
UserInterfaceEvents.RaiseMoleculeRenderSettingsUpdated(molecule.ID, molecule.RenderSettings, molecule.CurrentTrajectoryFrameNumber);
}
private void stepBackwardAnimation()
{
MoleculeSettings molecule = molecules.GetSelected();
molecule.CurrentTrajectoryFrameNumber--;
if (molecule.CurrentTrajectoryFrameNumber == null || molecule.CurrentTrajectoryFrameNumber < 0)
{
molecule.CurrentTrajectoryFrameNumber = molecule.TrajectoryFrameCount - 1;
}
UserInterfaceEvents.RaiseMoleculeRenderSettingsUpdated(molecule.ID, molecule.RenderSettings, molecule.CurrentTrajectoryFrameNumber);
UpdateFrameNumberInfo();
}
public void UpdateSelectedMolecule()
{
if (isActiveAndEnabled)
{
selectedMolecule = molecules.GetSelected();
if (selectedMolecule != null)
{
selectedMoleculeText.text = "Selected molecule - " + selectedMolecule.FileName;
}
else
{
selectedMoleculeText.text = "< no molecule selected >";
}
}
}
private void onConfirmLoadTransformsFromSettings(bool confirmed, object data = null)
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null || data == null)
{
return;
}
try {
UserInterfaceEvents.RaiseLoadMoleculeSettings(molecule.ID, (string)data, false, true, true, true, confirmed, loadRenderSettings);
}
catch (InvalidCastException) {
// do nothing
}
}
public void UpdateSelectedMolecule()
{
if (isActiveAndEnabled)
{
selectedMolecule = molecules.GetSelected();
initialise();
if (selectedMolecule != null)
{
selectedMoleculeText.text = "Modifying settings for molecule - " + selectedMolecule.FileName;
}
else
{
selectedMoleculeText.text = "< no molecule selected >";
}
}
}
public void TrajectoryLoaded(int id, string filePath, int frameCount)
{
if (molecules.Contains(id))
{
console.ShowMessage("Loaded trajectory. Frame count: " + frameCount);
MoleculeSettings settings = molecules.Get(id);
settings.HasTrajectory = true;
settings.TrajectoryFilePath = filePath;
settings.TrajectoryFrameCount = frameCount;
settings.CurrentTrajectoryFrameNumber = null;
loadTrajectoryButtonText.text = "Update Trajectory";
updateSelectedMoleculeInterfaceSettings();
}
}
private void onLoadRenderSettingsFileSubmitted(string fullPath)
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null)
{
return;
}
if (!File.Exists(fullPath))
{
console.ShowError("Cannot load settings, file not found at " + fullPath);
return;
}
confirmDialog.gameObject.SetActive(true);
confirmDialog.Initialise("Load new camera position from settings file also?", onConfirmLoadTransformsFromSettings, fullPath);
}
public void OnSaveSettingsButton()
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null)
{
return;
}
saveFileDialog.SetActive(true);
SaveFileDialog dialog = saveFileDialog.GetComponent <SaveFileDialog>();
List <string> validFileExtensions = new List <string>()
{
Settings.SettingsFileExtension
};
dialog.Initialise(validFileExtensions, onSaveSettingsFileSubmitted);
}
private void onLoadMoleculeFileSubmitted(string filePath)
{
MoleculeSettings molecule = molecules.Add(filePath);
if (interactionsPanel.MonitoringEnabled)
{
interactionsPanel.StopInteractions();
console.ShowError("Stopped monitoring molecular interactions, loading molecule");
}
if (filePath.EndsWith(Settings.SettingsFileExtension))
{
UserInterfaceEvents.RaiseLoadMoleculeSettings(molecule.ID, filePath, true, true, true, true, true, loadRenderSettings);
}
else
{
UserInterfaceEvents.RaiseLoadMolecule(molecule.ID, filePath, molecule.RenderSettings);
}
}
public void UpdateSelectedMolecule()
{
if (isActiveAndEnabled)
{
selectedMolecule = molecules.GetSelected();
if (selectedMolecule != null)
{
selectedMoleculeText.text = "Modifying settings for molecule - " + selectedMolecule.FileName;
EnableSettings(true);
LoadSettings();
}
else
{
selectedMoleculeText.text = "< no molecule selected >";
EnableSettings(false);
ClearSettings();
}
}
}
public void OnShowHideMoleculeButton()
{
MoleculeSettings molecule = molecules.GetSelected();
if (molecule == null)
{
return;
}
if (hiddenMolecules.Contains(molecule.ID))
{
molecule.Hidden = false;
UserInterfaceEvents.RaiseShowMolecule(molecule.ID);
if (molecule.PendingRerender)
{
UserInterfaceEvents.RaiseMoleculeRenderSettingsUpdated(molecule.ID, molecule.RenderSettings, molecule.CurrentTrajectoryFrameNumber);
}
UserInterfaceEvents.RaiseMoleculeSelected(molecule.ID, true);
hiddenMolecules.Remove(molecule.ID);
}
else
{
molecule.Hidden = true;
trajectoryControls.StopAnimation();
UserInterfaceEvents.RaiseHideMolecule(molecule.ID);
hiddenMolecules.Add(molecule.ID);
if (interactionsPanel.MonitoringEnabled)
{
interactionsPanel.StopInteractions();
console.ShowError("Stopped monitoring molecular interactions, hiding molecule");
}
UserInterfaceEvents.RaiseMoleculeSelected(molecule.ID, false);
}
updateSelectedMoleculeInterfaceSettings();
}
public void OnEndEditFrameInput()
{
Debug.Log("End frame input");
try {
int frameNumber = int.Parse(this.frameNumber.text);
MoleculeSettings molecule = molecules.GetSelected();
frameNumber = Mathf.Clamp(frameNumber, 1, molecule.TrajectoryFrameCount);
this.frameNumber.text = frameNumber.ToString();
if (frameNumber != lastFrameNumber)
{
Debug.Log("New frameNumber: " + frameNumber);
molecule.CurrentTrajectoryFrameNumber = frameNumber - 1;
UserInterfaceEvents.RaiseMoleculeRenderSettingsUpdated(molecule.ID, molecule.RenderSettings, molecule.CurrentTrajectoryFrameNumber);
}
}
catch (Exception) {
frameNumber.text = lastFrameNumber.ToString();
}
}
public void UpdateSelectedMolecule()
{
if (isActiveAndEnabled)
{
selectedMolecule = molecules.GetSelected();
if (selectedMolecule != null)
{
selectedMoleculeText.text = "Modifying settings for molecule - " + selectedMolecule.FileName;
if (primaryStructures.ContainsKey(selectedMolecule.ID))
{
PrimaryStructure primaryStructure = primaryStructures[selectedMolecule.ID];
initialiseResidueRenderSettings(primaryStructure);
showResidueNamesPanel(selectedMolecule.RenderSettings, primaryStructure);
}
}
else
{
selectedMoleculeText.text = "< no molecule selected >";
}
}
}
private void updateSelectedMoleculeInterfaceSettings()
{
if (molecules.SelectedMoleculeID == null)
{
loadSettingsButton.interactable = false;
loadSettingsButton.gameObject.SetActive(false);
saveSettingsButton.interactable = false;
saveSettingsButton.gameObject.SetActive(false);
loadTrajectoryButton.interactable = false;
loadTrajectoryButton.gameObject.SetActive(false);
resetMoleculePositionButton.interactable = false;
resetMoleculePositionButton.gameObject.SetActive(false);
showHideMoleculeButton.interactable = false;
showHideMoleculeButton.gameObject.SetActive(false);
removeMoleculeButton.interactable = false;
removeMoleculeButton.gameObject.SetActive(false);
moleculeInfoPanel.SetActive(false);
trajectoryControls.transform.gameObject.SetActive(false);
}
else
{
MoleculeSettings molecule = molecules.GetSelected();
loadSettingsButton.interactable = true;
loadSettingsButton.gameObject.SetActive(true);
saveSettingsButton.interactable = true;
saveSettingsButton.gameObject.SetActive(true);
loadTrajectoryButton.interactable = true;
loadTrajectoryButton.gameObject.SetActive(true);
resetMoleculePositionButton.interactable = true;
resetMoleculePositionButton.gameObject.SetActive(true);
showHideMoleculeButton.interactable = true;
showHideMoleculeButton.gameObject.SetActive(true);
removeMoleculeButton.interactable = true;
removeMoleculeButton.gameObject.SetActive(true);
if (molecule.HasTrajectory)
{
loadTrajectoryButtonText.text = "Update Trajectory";
trajectoryControls.transform.gameObject.SetActive(true);
trajectoryControls.UpdateFrameNumberInfo();
}
else
{
loadTrajectoryButtonText.text = "Load Trajectory";
trajectoryControls.transform.gameObject.SetActive(false);
}
if (hiddenMolecules.Contains((int)molecule.ID))
{
showHideMoleculeButtonText.text = "Show Molecule";
}
else
{
showHideMoleculeButtonText.text = "Hide Molecule";
}
moleculeInfoPanel.SetActive(true);
moleculePathText.text = molecule.FilePath;
moleculeHeaderText.text = molecule.Description;
moleculeAtomCountText.text = molecule.AtomCount.ToString();
moleculeResidueCountText.text = molecule.ResidueCount.ToString();
}
}
